| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:35 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H14O9 |
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| Molecular Mass | 362.0638 |
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| SMILES | O=C(OC(Cc1ccc(O)c(O)c1)C(=O)O)c1cccc(O)c1C(=O)O |
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| InChI Key | VAQPFROQEVLXEI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidessalicylic acidstricarboxylic acids and derivativesvinylogous acidsm-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesbenzoate estersalicylic acidcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-hydroxybenzoic acid esterbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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